Hydrochloric Acid

Hydrochloric Acid

SCHEMBL586080

CCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)CCCN(C)C)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.35
CHRM2 known ✓ P08172 1/20 0.35
CHRM1 known ✓ P11229 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
THRA P10827 5/20 0.36
THRB P10828 4/20 0.36
ALOX5 P09917 1/20 0.36
CHEK2 O96017 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
NR1I2 O75469 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL584702 0.99 STAT3 (0.42) STAT3STAT1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL585790 0.98 STAT3 (0.41) STAT3STAT1HTR1AHTR1DHTR1B
SCHEMBL586541 0.97 STAT3 (0.42) STAT3STAT1HTR1AHTR1DHTR1B
SCHEMBL12057394 0.97 STAT3 (0.41) STAT3STAT1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL585263 0.95 STAT3 (0.46) STAT3STAT1ALOX5CHEK2ACHE
SCHEMBL584949 0.94 STAT3 (0.47) STAT3STAT1ALOX5CHEK2ACHE
SCHEMBL15673545 0.93 STAT3 (0.46) STAT3STAT1HTR1ACYP1A2CYP2D6
Bromide SCHEMBL5015919 0.93 STAT3 (0.46) STAT3STAT1ALOX5CHEK2ACHE
SCHEMBL17722680 0.93 STAT3 (0.46) STAT3STAT1HTR1ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2545654 0.93 STAT3 (0.40) STAT3STAT1HTR1AHTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 EP claimed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 US claimed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 US claimed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 EP claimed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 US claimed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 EP claimed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 US claimed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 US claimed
EP-1768666-A1 NOVEL USES OF PORPHYRIN COMPOUNDS Destiny Pharma Limited (GB) 2007-04-04 EP claimed
WO-2006000765-A1 NOVEL USES DESTINY PHARMA LIMITED (GB) 2006-01-05 WO claimed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 US claimed
EP-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 EP disclosed
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 EP disclosed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 US disclosed
EP-2355816-A2 NOVEL USES Destiny Pharma Limited (GB) 2011-08-17 EP disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 US disclosed
EP-1578750-A2 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS Destiny Pharma Limited (GB) 2005-09-28 EP disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 US disclosed
WO-2004056828-A2 NOVEL COMPOUNDS AND USES THEREOF DESTINY PHARMA LIMITED (GB) 2004-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX ACHE 4706/4885CHRM2 2736/4885CHRM1 1754/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH ACHE 3875/4885CHRM2 2709/4885CHRM1 2458/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR ACHE 3544/4885CHRM2 1988/4885CHRM1 1911/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.